N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

C18H29BrN2 — CID 102768682

IUPACN-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN1Cc1ccc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C18H29BrN2/c1-5-16-7-6-10-21(16)13-15-9-8-14(11-17(15)19)12-20-18(2,3)4/h8-9,11,16,20H,5-7,10,12-13H2,1-4H3
InChIKeyFXGGFHIAQDEWFB-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.71
Rot. Bonds5

About N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 102768682) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID102768682
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC NameN-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN1Cc1ccc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C18H29BrN2/c1-5-16-7-6-10-21(16)13-15-9-8-14(11-17(15)19)12-20-18(2,3)4/h8-9,11,16,20H,5-7,10,12-13H2,1-4H3
InChIKeyFXGGFHIAQDEWFB-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768697
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62439339
N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102769477
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107555469
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethylpyrrolidine
CID 54971394
N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine
CID 102769560
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65322729
N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102772120
[(2R)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 103881875
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453693
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060904
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 102768682) is N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CCC1CCCN1Cc1ccc(CNC(C)(C)C)cc1Br.
What is the InChIKey of N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FXGGFHIAQDEWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-5-16-7-6-10-21(16)13-15-9-8-14(11-17(15)19)12-20-18(2,3)4/h8-9,11,16,20H,5-7,10,12-13H2,1-4H3.
What are the key properties of N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 353.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102768682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).